[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine

C14H11Cl3FNO — CID 103037818

IUPAC[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11Cl3FNO/c15-10-4-9(6-19)14(12(17)5-10)20-7-8-1-2-13(18)11(16)3-8/h1-5H,6-7,19H2
InChIKeyCRSWNBSBDNLRQL-UHFFFAOYSA-N
MW334.61 g/mol
LogP4.82
Rot. Bonds4

About [3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine

[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine (PubChem CID 103037818) has the molecular formula C14H11Cl3FNO and a molecular weight of 334.61 g/mol. Its IUPAC name is [3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
PubChem CID103037818
Molecular FormulaC14H11Cl3FNO
Molecular Weight334.61 g/mol
Exact Mass332.99
IUPAC Name[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11Cl3FNO/c15-10-4-9(6-19)14(12(17)5-10)20-7-8-1-2-13(18)11(16)3-8/h1-5H,6-7,19H2
InChIKeyCRSWNBSBDNLRQL-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.61
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 103037907
[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
CID 22688679
1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene
CID 63536214
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
CID 107305827
[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
CID 103038387
[3,5-dichloro-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 62126683
2-fluoro-5-[(2,4,6-trichlorophenoxy)methyl]benzenecarbothioamide
CID 107879842
1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551589
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine (CID 103037818) is [3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine is NCc1cc(Cl)cc(Cl)c1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of [3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is CRSWNBSBDNLRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FNO/c15-10-4-9(6-19)14(12(17)5-10)20-7-8-1-2-13(18)11(16)3-8/h1-5H,6-7,19H2.
What are the key properties of [3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine?
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine has a molecular weight of 334.61 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 103037818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).